G678-0070 Screening compound: N-(2-{[4-(3-chlorophenyl)piperazin-1-yl]sulfonyl}ethyl)-2-phenoxypropanamide

G678-0070 Screening compound: N-(2-{[4-(3-chlorophenyl)piperazin-1-yl]sulfonyl}ethyl)-2-phenoxypropanamide
G678-0070 Screening compound: N-(2-{[4-(3-chlorophenyl)piperazin-1-yl]sulfonyl}ethyl)-2-phenoxypropanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G678-0070
N-(2-{[4-(3-chlorophenyl)piperazin-1-yl]sulfonyl}ethyl)-2-phenoxypropanamide

Available from 1 mg

Formats:

  • Glass Vials (4ml Glass Vials VWR #97047-678)
  • 96-tube racks (Matrix #4247 96-well 1.4ml sealed with capmats, empty cols 1 & 12, 100uL of 10mM)

Shiptime: 1 week worldwide delivery in most cases

Compound Identifiers

ChemDiv Compound ID

G678-0070

Molecular Formula

C21H26ClN3O4S (C21 H26 ClN3 O4 S)

Compound Name

N-(2-{[4-(3-chlorophenyl)piperazin-1-yl]sulfonyl}ethyl)-2-phenoxypropanamide

IUPAC name

N-(2-{[4-(3-chlorophenyl)piperazin-1-yl]sulfonyl}ethyl)-2-phenoxypropanamide

SMILES

CC(C(NCCS(N(CC1)CCN1c1cccc(Cl)c1)(=O)=O)=O)Oc1ccccc1

InChI

InChI=1S/C21H26ClN3O4S/c1-17(29-20-8-3-2-4-9-20)21(26)23-10-15-30(27,28)25-13-11-24(12-14-25)19-7-5-6-18(22)16-19/h2-9,16-17H,10-15H2,1H3,(H,23,26)/t17-/m0/s1

InChI Key

KNLINIVLOXLTCY-KRWDZBQOSA-N

MDL Number (MFCD)

MFCD08319406

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

451.97

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.563

Distribution Coefficient, logD

2.563

Water Solubility, LogSw

-3.43

Polar Surface Area

66.419

Acid Dissociation Constant (pKa)

15.01

Base Dissociation Constant (pKb)

1.13

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

38.10

G678-0070 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with G678-0070 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G678-0070?
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What is the minimum amount of G678-0070 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G678-0070
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G678-0070
  • 0.5–50 mg of dry powder sample in single glass vials, custom vials
  • DMSO solutions frozen 10μl–250μl@10mM (96 and 384 format)

Custom synthesis of G678-0070 available by request